Ketcher 06221509212D 1 1.00000 0.00000 0 54 53 0 1 0 999 V2000 13.5587 -7.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6929 -6.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8271 -7.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4245 -6.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2906 -7.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0224 -7.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8888 -6.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7548 -7.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6209 -6.6857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1565 -6.6859 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.1563 -5.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4152 -7.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6209 -5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4870 -6.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4870 -7.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5594 -8.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3540 -8.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2199 -8.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4253 -8.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2915 -8.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4253 -9.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1576 -8.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0237 -8.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8897 -8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7557 -8.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6219 -8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4880 -8.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2200 -7.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0862 -6.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2827 -6.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4166 -7.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5504 -6.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6844 -7.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8184 -6.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9523 -7.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9611 -6.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0950 -7.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9611 -5.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 -6.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3629 -7.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4969 -6.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6309 -7.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 -6.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 -7.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 -6.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -7.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -8.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -8.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -9.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -10.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -11.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 -11.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 -11.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 -11.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 5 10 1 0 0 0 10 6 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 9 13 1 0 0 0 9 14 1 0 0 0 9 15 1 0 0 0 1 16 1 6 0 0 27 17 1 0 0 0 17 18 2 0 0 0 28 18 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 19 16 1 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 28 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 29 35 1 0 0 0 36 37 1 0 0 0 36 38 2 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 36 3 1 0 0 0 46 45 2 0 0 0 47 46 1 0 0 0 48 47 1 0 0 0 49 48 2 0 0 0 50 49 1 0 0 0 51 50 1 0 0 0 52 51 2 0 0 0 53 52 1 0 0 0 54 53 1 0 0 0 M CHG 2 9 1 12 -1 M END > CHEBI:86127 > 1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine > A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z,15Z)-octadecatrienoyl and (9Z)-octadecenoyl respectively. > 3 > Phosphatidylcholine(18:3w3/18:1w9); Phosphatidylcholine(18:3n3/18:1n9); Phosphatidylcholine(18:3/18:1); PC(18:3w3/18:1w9); PC(18:3n3/18:1n9); PC(18:3/18:1); PC(18:3(9Z,12Z,15Z)/18:1(9Z)); GPCho(18:3w3/18:1w9); GPCho(18:3n3/18:1n9); GPCho(18:3/18:1); 1-alpha-Linolenoyl-2-oleoyl-sn-glycero-3-phosphocholine > (2R)-3-{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate > C44H80NO8P > 782.08170 > 781.56216 > 0 > CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,42H,6-7,9,11-13,15,17-19,24-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-/t42-/m1/s1 > LPDGUCIMNBNWEJ-BXZVQSHESA-N > LMGP01010955 $$$$